CID 2733665

Ethyl n-boc-oxamidate

Structural Information

Molecular Formula
C9H15NO5
SMILES
CCOC(=O)C(=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H15NO5/c1-5-14-7(12)6(11)10-8(13)15-9(2,3)4/h5H2,1-4H3,(H,10,11,13)
InChIKey
DSDQWJVXMDHQLK-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

217.09502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.102296 146.9
[M+Na]+ 240.084238 152.9
[M-H]- 216.087744 147.4
[M+NH4]+ 235.128843 165.4
[M+K]+ 256.058178 154.5
[M+H-H2O]+ 200.092280 142.0
[M+HCOO]- 262.093221 168.2
[M+CH3COO]- 276.108871 187.3
[M+Na-2H]- 238.069686 150.1
[M]+ 217.09447142 150.8
[M]- 217.09556858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe